2-(azepan-1-ium-1-yl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide Formula: C22H29N4O+ MolecularWeight: 365.49186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2CCCC3=NC(=NC=C23)C4=CC=CC=C4

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)N[C@H]2CCCC3=NC(=NC=C23)C4=CC=CC=C4

InChI

InChI=1S/C22H28N4O/c27-21(16-26-13-6-1-2-7-14-26)24-19-11-8-12-20-18(19)15-23-22(25-20)17-9-4-3-5-10-17/h3-5,9-10,15,19H,1-2,6-8,11-14,16H2,(H,24,27)/p+1/t19-/m0/s1